N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide

C15H12BrN5O4S — CID 25023748

IUPACN-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N/N=C/c1cnc2ccc(Br)cn12
InChIInChI=1S/C15H12BrN5O4S/c1-10-2-4-12(21(22)23)6-14(10)26(24,25)19-18-8-13-7-17-15-5-3-11(16)9-20(13)15/h2-9,19H,1H3/b18-8+
InChIKeyZFLTXSSEUQFHCZ-QGMBQPNBSA-N
MW438.26 g/mol
LogP2.63
Rot. Bonds5

About N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide

N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 25023748) has the molecular formula C15H12BrN5O4S and a molecular weight of 438.26 g/mol. Its IUPAC name is N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID25023748
Molecular FormulaC15H12BrN5O4S
Molecular Weight438.26 g/mol
Exact Mass436.98
IUPAC NameN-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N/N=C/c1cnc2ccc(Br)cn12
InChIInChI=1S/C15H12BrN5O4S/c1-10-2-4-12(21(22)23)6-14(10)26(24,25)19-18-8-13-7-17-15-5-3-11(16)9-20(13)15/h2-9,19H,1H3/b18-8+
InChIKeyZFLTXSSEUQFHCZ-QGMBQPNBSA-N
XLogP2.63
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pik-75
CID 10275789
Imidazopyridine derivative, 8d
CID 18766054
Imidazopyridine derivative, 8h
CID 18766055
Imidazopyridine derivative, 4
CID 9934678
Imidazo[1,2-a]pyridine derivative, 2g
CID 10139567
Imidazopyridine derivative, 8g
CID 10271535
Imidazopyridine derivative, 8e
CID 10271745
Imidazopyridine derivative, 8f
CID 25023751
(E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
CID 45265864
Imidazopyridine derivative, 7a
CID 25023746
Imidazopyridine derivative, 7b
CID 25023747
Imidazopyridine derivative, 8a
CID 25023749

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide (CID 25023748) is N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N/N=C/c1cnc2ccc(Br)cn12.
What is the InChIKey of N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is ZFLTXSSEUQFHCZ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12BrN5O4S/c1-10-2-4-12(21(22)23)6-14(10)26(24,25)19-18-8-13-7-17-15-5-3-11(16)9-20(13)15/h2-9,19H,1H3/b18-8+.
What are the key properties of N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 438.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 25023748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).